(Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol | 627537-85-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol
• 英文别名: 1-[2-tris(2-methylphenyl)stannylethenyl]cyclohexan-1-ol
• CAS: 627537-85-3
• 化学式: C₂₉H₃₄OSn
• 分子量: 517.298
• InChiKey: LMEWPBSHUMPQLU-UHFFFAOYSA-N

物化性质

• 沸点：
  569.9±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol 以 四氯化碳 为溶剂， 生成 (Z)-1-[2-(dibromo-o-tolylstannyl)vinyl]-1-cyclohexanol
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol and its o-tolylhalostannyl derivatives

  摘要：

  (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol (1) was synthesized by the additive reaction of 1-Ethynylcyclohexanol with tri-o-tolyltin hydride. One or two of the o-tolyl groups of compound (1) was substituted by Cl, Br, I to yield derivatives of the type CH2(CH2)(4)CH(OH)CH=CHSn(o-tol)(3-n)X-n [n = 1, X = Cl (2), Br (3), I (4); n = 2, X = Br (5)]. The compounds (1 - 5) characterized by elemental analysis, H-1 NMR and FT-IR Spectroscopy. The crystal structures of (1) and (4) have been determined by single crystal X-ray diffraction analysis. The Sn atom in (1) exhibits tetrahedral geometry distorted towards trigonal bipyramid due to a weak intramolecular interaction between Sn and the hydroxyl O atoms [2.764(5) Angstrom], while the Sn atom in (4) adopts a trigonal bipyramidal geometry with a significant Sn(1) <-- O interaction [2.571(4) Angstrom]. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00552-0
• 作为产物：
  描述：

  tri-o-tolyltin chloride 在 dibenzoyl peroxide 作用下， 以 乙醚 为溶剂， 生成 (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol
  参考文献：
  名称：

  Synthesis, characterization and crystal structures of (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol and its o-tolylhalostannyl derivatives

  摘要：

  (Z)-1-[2-(tri-o-tolylstannyl)vinyl]-1-cyclohexanol (1) was synthesized by the additive reaction of 1-Ethynylcyclohexanol with tri-o-tolyltin hydride. One or two of the o-tolyl groups of compound (1) was substituted by Cl, Br, I to yield derivatives of the type CH2(CH2)(4)CH(OH)CH=CHSn(o-tol)(3-n)X-n [n = 1, X = Cl (2), Br (3), I (4); n = 2, X = Br (5)]. The compounds (1 - 5) characterized by elemental analysis, H-1 NMR and FT-IR Spectroscopy. The crystal structures of (1) and (4) have been determined by single crystal X-ray diffraction analysis. The Sn atom in (1) exhibits tetrahedral geometry distorted towards trigonal bipyramid due to a weak intramolecular interaction between Sn and the hydroxyl O atoms [2.764(5) Angstrom], while the Sn atom in (4) adopts a trigonal bipyramidal geometry with a significant Sn(1) <-- O interaction [2.571(4) Angstrom]. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00552-0